5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide

C22H28N4O3 — CID 46943090

IUPAC5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(C2CCCN(C(=O)C3CCCCC3)C2)on1
InChIInChI=1S/C22H28N4O3/c27-21(24-14-16-6-4-10-23-13-16)19-12-20(29-25-19)18-9-5-11-26(15-18)22(28)17-7-2-1-3-8-17/h4,6,10,12-13,17-18H,1-3,5,7-9,11,14-15H2,(H,24,27)
InChIKeyBCHCULPTTKTOLU-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.29
Rot. Bonds5

About 5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide

5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 46943090) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID46943090
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(C2CCCN(C(=O)C3CCCCC3)C2)on1
InChIInChI=1S/C22H28N4O3/c27-21(24-14-16-6-4-10-23-13-16)19-12-20(29-25-19)18-9-5-11-26(15-18)22(28)17-7-2-1-3-8-17/h4,6,10,12-13,17-18H,1-3,5,7-9,11,14-15H2,(H,24,27)
InChIKeyBCHCULPTTKTOLU-UHFFFAOYSA-N
XLogP3.29
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide (CID 46943090) is 5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(NCc1cccnc1)c1cc(C2CCCN(C(=O)C3CCCCC3)C2)on1.
What is the InChIKey of 5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is BCHCULPTTKTOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c27-21(24-14-16-6-4-10-23-13-16)19-12-20(29-25-19)18-9-5-11-26(15-18)22(28)17-7-2-1-3-8-17/h4,6,10,12-13,17-18H,1-3,5,7-9,11,14-15H2,(H,24,27).
What are the key properties of 5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46943090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).